Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.43 |
| ▸ | ACP1 | P24666 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5670859 | 0.79 | EP300 (0.45) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL5669867 | 0.77 | F10 (0.64) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL5570502 | 0.77 | MAPT (0.46) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL5566702 | 0.77 | MAPT (0.46) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL5571203 | 0.76 | MAPT (0.45) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL5569229 | 0.75 | MAPT (0.44) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL19074543 | 0.73 | POLB (0.66) | KMT2AMAPTROCK2ROCK1ALDH1A1 | |
| SCHEMBL4982071 | 0.73 | POLB (0.66) | KMT2AMAPTROCK2ROCK1ALDH1A1 | |
| SCHEMBL5571210 | 0.73 | F10 (0.51) | KMT2AMAPTUSP2ESR1NR4A1 | |
| SCHEMBL5569317 | 0.73 | ALDH1A1 (0.44) | KMT2AMAPTUSP2ESR1NR4A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |